3-[5-(3-phosphonopentan-3-yl)naphthalen-1-yl]pentan-3-ylphosphonic acid

Systemtic Name: 3-[5-(3-phosphonopentan-3-yl)naphthalen-1-yl]pentan-3-ylphosphonic acid Openeye Name: [1-ethyl-1-[5-(1-ethyl-1-phosphono-propyl)-1-naphthyl]propyl]phosphonic acid CAS Name: 3-[5-(3-phosphonopentan-3-yl)-1-naphthalenyl]pentan-3-ylphosphonic acid IUPAC Name: 3-[5-(3-phosphonopentan-3-yl)naphthalen-1-yl]pentan-3-ylphosphonic acid Traditional Name: [1-ethyl-1-[5-(1-ethyl-1-phosphono-propyl)-1-naphthyl]propyl]phosphonic acid Formula: C20H30O6P2 MolecularWeight: 428.396122

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC=CC2=C1C=CC=C2C(CC)(CC)P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCC(CC)(C1=CC=CC2=C1C=CC=C2C(CC)(CC)P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C20H30O6P2/c1-5-19(6-2,27(21,22)23)17-13-9-12-16-15(17)11-10-14-18(16)20(7-3,8-4)28(24,25)26/h9-14H,5-8H2,1-4H3,(H2,21,22,23)(H2,24,25,26)